(2R,3S,4S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-[(phenylmethyl)amino]purin-9-yl]-4-prop-2-ynoxy-oxolan-3-ol

Systemtic Name: (2R,3S,4S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[6-[(phenylmethyl)amino]purin-9-yl]-4-prop-2-ynoxy-oxolan-3-ol Openeye Name: (2R,3S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-prop-2-ynoxy-tetrahydrofuran-3-ol CAS Name: (2R,3S,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[6-[(phenylmethyl)amino]-9-purinyl]-4-prop-2-ynoxy-3-oxolanol IUPAC Name: (2R,3S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-prop-2-ynoxyoxolan-3-ol Traditional Name: (2R,3S,4S,5R)-5-[6-(benzylamino)purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-propargyloxy-tetrahydrofuran-3-ol Formula: C41H39N5O6 MolecularWeight: 697.77826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6NCC7=CC=CC=C7)OCC#C)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@@H]([C@@H]([C@@H](O4)N5C=NC6=C5N=CN=C6NCC7=CC=CC=C7)OCC#C)O

InChI

InChI=1S/C41H39N5O6/c1-4-23-50-37-36(47)34(52-40(37)46-27-45-35-38(43-26-44-39(35)46)42-24-28-11-7-5-8-12-28)25-51-41(29-13-9-6-10-14-29,30-15-19-32(48-2)20-16-30)31-17-21-33(49-3)22-18-31/h1,5-22,26-27,34,36-37,40,47H,23-25H2,2-3H3,(H,42,43,44)/t34-,36+,37+,40-/m1/s1